SimExLite.DiffractionCalculators.SingFELDiffractionCalculator

class SimExLite.DiffractionCalculators.SingFELDiffractionCalculator(name: str, input: ~libpyvinyl.BaseData.DataCollection, output_keys: str = 'singfel_diffraction', output_data_types=<class 'SimExLite.DiffractionData.DiffractionData.DiffractionData'>, output_filenames: str = 'diffr.h5', instrument_base_dir='./', calculator_base_dir='SingFELDiffractionCalculator', parameters=None)

Diffraction pattern calculator with pysingfel backend.

Parameters:

• name (str) – The name of this calculator.

• input (PMIData) – The input data in PMIData class.

• output_keys – The key(s) of this calculator’s output data.

• output_data_types – The data type(s), i.e., classes, of each output. It’s a list of the data classes or a single data class. The available data classes are based on BaseData.

• output_filenames – The name(s) of the output file(s). It can be a str of a filename or a list of filenames. If the mapping is dict mapping, the name is None. Defaults to None.

• instrument_base_dir – The base directory for the instrument to which this calculator belongs. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename

• calculator_base_dir – The base directory for this calculator. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename

• parameters – The parameters for this calculator.

__init__(name: str, input: ~libpyvinyl.BaseData.DataCollection, output_keys: str = 'singfel_diffraction', output_data_types=<class 'SimExLite.DiffractionData.DiffractionData.DiffractionData'>, output_filenames: str = 'diffr.h5', instrument_base_dir='./', calculator_base_dir='SingFELDiffractionCalculator', parameters=None)

Constructs this class.

Parameters:

• name – The name of this calculator.

• input – The input of this calculator. It can be a DataCollection, a list of `BaseData`s or a single Data Object.

• output_keys – The key(s) of this calculator’s output data.

• output_data_types – The data type(s), i.e., classes, of each output. It’s a list of the data classes or a single data class. The available data classes are based on BaseData.

• output_filenames – The name(s) of the output file(s). It can be a str of a filename or a list of filenames. If the mapping is dict mapping, the name is None. Defaults to None.

• instrument_base_dir – The base directory for the instrument to which this calculator belongs. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename

• calculator_base_dir – The base directory for this calculator. The final exact output file path depends on instrument_base_dir and calculator_base_dir: instrument_base_dir/calculator_base_dir/filename

• parameters – The parameters for this calculator.

Methods

__init__(name, input[, output_keys, ...])	Constructs this class.
backengine()	Execute the intended operation of this class.
dump([fname])	Dump class instance to file.
from_dump(dumpfile)	Load a dill dump from a dumpfile.
get_geometry_file()
get_input_fn()	Make sure the data is a mapping of PMI file
init_parameters()	Virtual method to initialize all parameters.
reset_parameters(value)	Resets the calculator parameters
set_calculator_base_dir(value)	Set the calculator base directory
set_input(value)	Set the calculator input data.
set_instrument_base_dir(value)	Set the instrument base directory
set_output_data_types(value)	Set the calculator output data type.
set_output_filenames(value)	Set the calculator output filenames.
set_output_keys(value)	Set the calculator output keys.
set_parameters([args_as_dict])	Sets parameters contained in this calculator using dict or kwargs

Attributes

base_dir	The base path for the output files of this calculator in consideration of instrument_base_dir and calculator_base_dir
calculator_base_dir	The base directory for this calculator.
data	The alias of output.
input	The input of this calculator.
instrument_base_dir	The base directory for the instrument to which this calculator belongs.
name	The name of this calculator.
output	The output of this calculator
output_data_types	The data type(s), i.e., classes, of each output.
output_file_paths	The final output file paths considering base_dir
output_filenames	The name(s) of the output file(s).
output_keys	The key(s) of this calculator's output data.
parameters	The parameters of this calculator.